(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0QZ
File name: alatis_output_compound.sdf
|
Formula: C3H7N1O3 Compound mass: 105.09230000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0QZ | 4OIQ 4OIN 4MQ9 4OIR 4OIP |
| BAL | 1N2J 4Z0W 1MCH 5JR2 2IH0 1RGR 4PS1 3O3E 5ESQ 4W4Z 1S32 1EFR 2OXJ 4AQD 3C3G 1M18 3QTT 6NKP 2OXK 4XN9 6NK0 4PS0 2V8G 1MCD 6DN7 6NK1 1M1A 2A86 3HEY 1MCF 3O3A 3HEV 1N2O 5W6I 1M19 5W5U 3C3H 5W6U 3C3F 3HEW 6NK2 5W5S 1MCE 3HET 3HEU 3HEX 6DN5 |
| 62H | 5HFY |
| BIB | 1R3N 1R43 |
| DPP | 5CGH 3KNH 6ECD 3KNN 4V9P 1JD8 4V7M 5GTR 4KJ6 4V85 3J5X 4KBT 5CGG 6ECF 4KJ0 6S5S 4V7C 4V9O 4XN7 4V9L 3KNL 4V9J 1B5H 5V93 4V9K 4KJ8 4KIY 4KD0 6S5R 3J5T 4KJ2 4KJ4 4V7L 4KBV 4XMT 4KJA 4V7D 4KCY 6ECE 3SFS 3KNJ 4KDA 4KS6 4KTX 4KD8 |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.